COMPND    HMDB0039109
HETATM    1  C1  UNL     1      -6.933   0.133   0.708  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.065   0.538  -0.182  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.653   0.311   0.001  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.730   0.698  -0.863  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.328   0.468  -0.673  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.161   0.290  -0.532  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.233   0.094  -0.382  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.430  -0.057  -0.263  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.837  -0.213  -0.136  1.00  0.00           C  
HETATM   10  C10 UNL     1       4.037  -0.326  -0.035  1.00  0.00           C  
HETATM   11  C11 UNL     1       5.451  -0.448   0.063  1.00  0.00           C  
HETATM   12  C12 UNL     1       6.649  -0.564   0.145  1.00  0.00           C  
HETATM   13  C13 UNL     1       8.118  -0.714   0.223  1.00  0.00           C  
HETATM   14  H1  UNL     1      -6.596  -0.375   1.587  1.00  0.00           H  
HETATM   15  H2  UNL     1      -7.985   0.302   0.571  1.00  0.00           H  
HETATM   16  H3  UNL     1      -6.396   1.051  -1.071  1.00  0.00           H  
HETATM   17  H4  UNL     1      -4.303  -0.199   0.883  1.00  0.00           H  
HETATM   18  H5  UNL     1      -4.043   1.204  -1.743  1.00  0.00           H  
HETATM   19  H6  UNL     1       8.501   0.308   0.495  1.00  0.00           H  
HETATM   20  H7  UNL     1       8.518  -1.049  -0.760  1.00  0.00           H  
HETATM   21  H8  UNL     1       8.419  -1.455   0.972  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4    4   17
CONECT    4    5   18
CONECT    5    6    6    6
CONECT    6    7
CONECT    7    8    8    8
CONECT    8    9
CONECT    9   10   10   10
CONECT   10   11
CONECT   11   12   12   12
CONECT   12   13
CONECT   13   19   20   21
END